N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide

C16H20N2OS — CID 62045490

IUPACN-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(C(NC(=O)c2cscn2)C(C)C)cc1
InChIInChI=1S/C16H20N2OS/c1-4-12-5-7-13(8-6-12)15(11(2)3)18-16(19)14-9-20-10-17-14/h5-11,15H,4H2,1-3H3,(H,18,19)
InChIKeyCHUYXPHHDNCFAR-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.83
Rot. Bonds5

About N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide

N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide (PubChem CID 62045490) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
PubChem CID62045490
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(C(NC(=O)c2cscn2)C(C)C)cc1
InChIInChI=1S/C16H20N2OS/c1-4-12-5-7-13(8-6-12)15(11(2)3)18-16(19)14-9-20-10-17-14/h5-11,15H,4H2,1-3H3,(H,18,19)
InChIKeyCHUYXPHHDNCFAR-UHFFFAOYSA-N
XLogP3.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide (CID 62045490) is N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide is CCc1ccc(C(NC(=O)c2cscn2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CHUYXPHHDNCFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-12-5-7-13(8-6-12)15(11(2)3)18-16(19)14-9-20-10-17-14/h5-11,15H,4H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62045490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).